AcTmTl4
Alexandria ALEXAlex-ID: agm003752003 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2192_spg65
TmTl AcTl3
2022-04-19 08:22:30.649855
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752003).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003752003
data_agm003752003
_cell_length_a 5.08363
_cell_length_b 5.07998
_cell_length_c 8.23078
_cell_angle_alpha 89.95605
_cell_angle_beta 90.01854
_cell_angle_gamma 84.82088
_cell_volume 211.68978
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ac1 Ac 0.50099 0.49759 0.99816 1.00000
Tm1 Tm 0.00164 0.99693 0.49816 1.00000
Tl1 Tl 0.50143 0.99737 0.28291 1.00000
Tl2 Tl 0.50170 0.99782 0.71335 1.00000
Tl3 Tl 0.00084 0.49683 0.71361 1.00000
Tl4 Tl 0.00118 0.49718 0.28265 1.00000
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